1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

C25H32N4O — CID 20814005

IUPAC1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C25H32N4O/c1-6-19-11-12-21-20(15-19)26-24(27(21)14-13-17(2)3)16-28-22-9-7-8-10-23(22)29(18(4)5)25(28)30/h7-12,15,17-18H,6,13-14,16H2,1-5H3
InChIKeyFPCJAWRISHUQLX-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.39
Rot. Bonds7

About 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one

1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (PubChem CID 20814005) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
PubChem CID20814005
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one
SMILESCCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C
InChIInChI=1S/C25H32N4O/c1-6-19-11-12-21-20(15-19)26-24(27(21)14-13-17(2)3)16-28-22-9-7-8-10-23(22)29(18(4)5)25(28)30/h7-12,15,17-18H,6,13-14,16H2,1-5H3
InChIKeyFPCJAWRISHUQLX-UHFFFAOYSA-N
XLogP5.39
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one (CID 20814005) is 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is CCc1ccc2c(c1)nc(Cn1c(=O)n(C(C)C)c3ccccc31)n2CCC(C)C.
What is the InChIKey of 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
The InChIKey is FPCJAWRISHUQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-6-19-11-12-21-20(15-19)26-24(27(21)14-13-17(2)3)16-28-22-9-7-8-10-23(22)29(18(4)5)25(28)30/h7-12,15,17-18H,6,13-14,16H2,1-5H3.
What are the key properties of 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one?
1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one has a molecular weight of 404.56 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-ethyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 20814005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).